2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane

C18H38O2S — CID 141263751

IUPAC2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane
SMILESCC(C(C)(C)C(C)(C)C)S(=O)(=O)C(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2S/c1-13(17(9,10)15(3,4)5)21(19,20)14(2)18(11,12)16(6,7)8/h13-14H,1-12H3
InChIKeyYUEGXZHPVZCAFZ-UHFFFAOYSA-N
MW318.57 g/mol
LogP5.32
Rot. Bonds4

About 2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane

2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane (PubChem CID 141263751) has the molecular formula C18H38O2S and a molecular weight of 318.57 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane
PubChem CID141263751
Molecular FormulaC18H38O2S
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Name2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane
SMILESCC(C(C)(C)C(C)(C)C)S(=O)(=O)C(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2S/c1-13(17(9,10)15(3,4)5)21(19,20)14(2)18(11,12)16(6,7)8/h13-14H,1-12H3
InChIKeyYUEGXZHPVZCAFZ-UHFFFAOYSA-N
XLogP5.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butylthiane 1,1-dioxide
CID 423309
3-t-Butylsulfolane
CID 20767965
4-Tert-butyl-4-fluorothiane 1,1-dioxide
CID 156352641
1-Ethylsulfonyl-4,4-dimethylpentane
CID 11148231
3-(2-Ethylhexylsulfonylmethyl)heptane
CID 12810383
4,4-Dimethylthiepane 1,1-dioxide
CID 18723218
3,4-Ditert-butylthiolane 1,1-dioxide
CID 20625148
3,4-Ditert-butylthiane 1,1-dioxide
CID 20635137
1-Tert-butylsulfonyl-4,4-dimethylpentane
CID 20657893
4,4-Ditert-butylthiane 1,1-dioxide
CID 21030996
4,4-Di(propan-2-yl)thiane 1,1-dioxide
CID 21069099
4-Tert-butyl-2-methylthiolane 1,1-dioxide
CID 21532842

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane?
The IUPAC name of 2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane (CID 141263751) is 2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane.
What is the SMILES notation for 2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane?
The canonical SMILES for 2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane is CC(C(C)(C)C(C)(C)C)S(=O)(=O)C(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane?
The InChIKey is YUEGXZHPVZCAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2S/c1-13(17(9,10)15(3,4)5)21(19,20)14(2)18(11,12)16(6,7)8/h13-14H,1-12H3.
What are the key properties of 2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane?
2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane has a molecular weight of 318.57 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-4-(3,3,4,4-tetramethylpentan-2-ylsulfonyl)pentane is sourced from PubChem (CID 141263751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).